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Substance Name: Pseudourea, 2-(2-(tert-butylcarbamoyl)ethyl)-2-thio-, p-toluenesulfonate
RN: 73839-98-2
InChIKey: ABPDYXOAYYTFDG-UHFFFAOYSA-N

Molecular Formula

  • C8-H17-N3-O-S.C7-H8-O3-S

Molecular Weight

  • 375.5115
 
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Names and Synonyms

Synonym

  • 2-(2-(tert-Butylcarbamoyl)ethyl)-2-thiopseudourea p-toluenesulfonate

Systematic Name

  • Pseudourea, 2-(2-(tert-butylcarbamoyl)ethyl)-2-thio-, p-toluenesulfonate

Registry Numbers

CAS Registry Number

  • 73839-98-2

System Generated Number

  • 0073839982

Molecular Formulas

Molecular Formula

  • C8-H17-N3-O-S.C7-H8-O3-S

Molecular Formula Fragments

  • C7-H8-O3-S
  • C8-H17-N3-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C8H17N3OS.C7H8O3S/c1-8(2,3)11-6(12)4-5-13-7(9)10;1-6-2-4-7(5-3-6)11(8,9)10/h4-5H2,1-3H3,(H3,9,10)(H,11,12);2-5H,1H3,(H,8,9,10)

InChIKey

ABPDYXOAYYTFDG-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)S(=O)(=O)O.CC(C)(C)NC(=O)CCSC(=N)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01058,